ST081364 17-alpha-Ethynylestradiol

MW: 296.41

CAS: 57-63-6

MDL NUMBER: MFCD01881474

IUPAC: (1S,11S,15S,10R,14R)-14-ethynyl-15-methyltetracyclo[8.7.0.0<2,7>.0<11,15>]hept adeca-2,4,6-triene-5,14-diol

Smiles: c12[C@H]3(CC[C]4([C@H]([C@@H]3(CCc1cc(cc2)O))(CC[C@]4(C#C)O))C)

THERAPEUTIC CATEGORY: Estrogen. In combination with progesteron as oral contraceptiver

VET THERAP CATEGORY: Estrogen

ACCEPTORS: 2

DONORS: 2

ROTATION BONDS: 2

N+O: 2

Chiral Centers: 5

LogP: 5.97

LogS: -5.01

LIPINSKI: 4

Synonyms: NOVESTROL;NEO-ESTRONE;ETHYNYLESTRADIOL;ETHINYL ESTRADIOL;LYNORAL;17ALPHA-ETHYNYL-DELTA1,3,5(10)-ESTRA-TRIENE-3,17BETA-DIOL;17ALPHA-ETHYNYLESTRADIOL;17ALPHA-ETHINYLESTRADIOL

CAS:57-63-6

MF:C20H24O2

MW:296.4

EINECS:200-342-2

Product Categories:Alcohols and Derivatives;Steroids;Acetylenes;Biochemistry;Functionalized Acetylenes;Hydroxysteroids;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals Ethynyl estradiol

Chemical Properties: mp 182-183 C(lit.) refractive index -30 (C=0.4, Pyridine) solubility ethanol: 50 mg/mL, clear, slightly yellow Merck 3734

CAS DataBase Reference: 57-63-6(

CAS DataBase Reference: ) NIST Chemistry ReferenceEthinyl estradiol(57-63-6) EPA Substance Registry System19-Norpregna-1,3, 5(10)-trien-20-yne-3,17-diol, (17.alpha.)-(57-63-6) T Risk Statements 45-22 Safety Statements 53-36/37/39-45 WGK Germany 3 RTECS RC8925000 F 8 Hazardous Substances Data57-63-6(Hazardous Substances Data) 17a-Ethynyl-1,3,5(10)-estratriene-3,17b-diol Ethynyl estradiol

Usage And Synthesis:

Chemical Properties: Off-White to Light-Yellow Crystalline Powder UsageA metabolite of 17a-Ethynylestradiol UsageA synthetic steroid with high oral estrogenic potency General DescriptionFine white to creamy white powder. A synthetic steroid. Used in combination with progestogen as an oral contraceptive. Air & Water ReactionsAir and light sensitive . Insoluble in water. Reactivity ProfileEthynyl estradiol may react vigorously with strong oxidizing agents. May react exothermically with reducing agents to generate gaseous hydrogen. Health HazardACUTE/CHRONIC HAZARDS: When heated to decomposition Ethynyl estradiol emits acrid smoke and fumes. Fire HazardThe flash point data for Ethynyl estradiol are not available. Ethynyl estradiol is probably combustible. Ethynyl estradiol

Chemical Compounds - BioActive Compounds